General Information of the Compound
| Compound ID |
CP0851406
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| Compound Name |
(R)-3-(2-hydroxy-2,2-di(thiophen-2-yl)acetamido)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C26H31BrN2O2S2
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| Molecular Weight |
547.584
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| Canonical SMILES |
O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]
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| InChI |
InChI=1S/C26H30N2O2S2.BrH/c29-25(26(30,23-10-5-17-31-23)24-11-6-18-32-24)27-22-19-28(15-12-21(22)13-16-28)14-4-9-20-7-2-1-3-8-20;/h1-3,5-8,10-11,17-18,21-22,30H,4,9,12-16,19H2;1H/t21?,22-,28?;/m0./s1
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| InChIKey |
ZOQNBZKVHYFHGD-XPTDNKBGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3